| SpectraBase Spectrum ID |
LSwKKTwTaWE |
| Name |
Agomelatine-M AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
287.115758027 u |
| Formula |
C16H17NO4 |
| InChI |
InChI=1S/C16H17NO4/c1-10(18)17-7-6-12-4-3-5-13-8-16(21-11(2)19)15(20)9-14(12)13/h3-5,8-9,20H,6-7H2,1-2H3,(H,17,18) |
| InChIKey |
OLWNOLSRUVMTRA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
287.315 g/mol |
| SMILES |
c1(cc2c(cc1OC(C)=O)cccc2CCNC(=O)C)O |
| SPLASH |
splash10-000i-0930000000-caa0b043b0225af71580 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Agomelatine-M (O-demethyl-HO-aryl-) AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8498 |
